On 22/01/2022 21:47, Paul Emsley wrote:
On 22/01/2022 17:34, YUVARAJ I wrote:
I have solved a protein structure using anomalous signal using
mercury(II)potassium Iodide(K2HgI4).
I wanted to submit the structure of the protein with mercury(II)
potassium iodide to PDB.
I am facing problems while making the ligand (HGI4) . HGI4 is not
available in the pdb.
Make Ligand in CCP4 is showing error
[...]
I have attached the screenshots for reference.
If it really is tetrahedral you could try the attached (TIM is already
taken so you'll have to rename it - or wwPDB will do it for you).
I desalted it of course. I also updated (hand-edited) the bond
distances using the Acedrg Tables reference.
If successful, send us a picture of the post-refinement maps.
Sorry, I forgot to add:
Use File -> Import CIF dictionary
Tick the "Generate a Molecule" before clicking "Open"
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